(2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine

C17H16N2 — CID 145235625

IUPAC(2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine
SMILESCC1=C(C2C=CC=CN2)/C=C\C=c2\cccc\c2=N\1
InChIInChI=1S/C17H16N2/c1-13-15(17-11-4-5-12-18-17)9-6-8-14-7-2-3-10-16(14)19-13/h2-12,17-18H,1H3/b8-6-,9-6-,14-8-,15-9+,15-13+,19-13-,19-16-
InChIKeyAACAJZKXGYJRCO-OKNJKGMSSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds1

About (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine

(2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine (PubChem CID 145235625) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine.

Molecular Properties

Compound Name(2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine
PubChem CID145235625
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine
SMILESCC1=C(C2C=CC=CN2)/C=C\C=c2\cccc\c2=N\1
InChIInChI=1S/C17H16N2/c1-13-15(17-11-4-5-12-18-17)9-6-8-14-7-2-3-10-16(14)19-13/h2-12,17-18H,1H3/b8-6-,9-6-,14-8-,15-9+,15-13+,19-13-,19-16-
InChIKeyAACAJZKXGYJRCO-OKNJKGMSSA-N
XLogP1.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
CID 143253059
(2E)-N-ethenyl-2-[3-[(8Z)-8-ethylidene-2,7-dimethyl-2,3-dihydro-1H-1,4-diazocin-6-yl]-4-fluorocyclohexa-2,4-dien-1-ylidene]ethanimine
CID 173841405
4,5-Dimethyl-11H-pyrido[4,3-a]carbazole
CID 382590
N-methyl-2-[(2Z)-2-(3-methylbut-2-enylidene)indol-1-ium-3-yl]ethanamine
CID 135020789
N-methyl-2-[(2E)-2-(3-methylbut-2-enylidene)indol-3-yl]ethanamine
CID 139247713
4-[2-(2,6-Difluorocyclohexa-2,4-dien-1-ylidene)-1,7a-dihydroindol-5-yl]-4-ethylimino-1,1,1-trifluorobut-2-en-2-amine
CID 162588769
(2E,4E)-N-[[3-[(Z)-but-1-enyl]imino-4-iminocyclohexa-1,5-dien-1-yl]methyl]-5-fluoro-4-methylhepta-2,4,6-trien-3-amine
CID 176561633
1,8a-Dihydroquinoxaline
CID 21990073

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine?
The IUPAC name of (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine (CID 145235625) is (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine.
What is the SMILES notation for (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine?
The canonical SMILES for (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine is CC1=C(C2C=CC=CN2)/C=C\C=c2\cccc\c2=N\1.
What is the InChIKey of (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine?
The InChIKey is AACAJZKXGYJRCO-OKNJKGMSSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-15(17-11-4-5-12-18-17)9-6-8-14-7-2-3-10-16(14)19-13/h2-12,17-18H,1H3/b8-6-,9-6-,14-8-,15-9+,15-13+,19-13-,19-16-.
What are the key properties of (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine?
(2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine has a molecular weight of 248.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-3-(1,2-dihydropyridin-2-yl)-2-methyl-1-benzazocine is sourced from PubChem (CID 145235625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).